Magnesium in PDB 3k9l: Allosteric Modulation of H-Ras Gtpase

The structure of Allosteric Modulation of H-Ras Gtpase, PDB code: 3k9l was solved by S.Fetics, M.Young, G.Buhrman, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.32 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.113, 60.632, 74.975, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 27.1

The structure of Allosteric Modulation of H-Ras Gtpase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Allosteric Modulation of H-Ras Gtpase (pdb code 3k9l). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Allosteric Modulation of H-Ras Gtpase, PDB code: 3k9l:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Allosteric Modulation of H-Ras Gtpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Allosteric Modulation of H-Ras Gtpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg168 b:23.1 occ:1.00 O2G A:GNP201 2.1 22.0 1.0 O2B A:GNP201 2.1 17.3 1.0 O A:HOH323 2.2 16.6 1.0 OG A:SER17 2.3 19.5 1.0 O A:HOH322 2.3 18.2 1.0 OG1 A:THR35 2.4 29.6 1.0 CB A:THR35 3.2 26.0 1.0 CB A:SER17 3.2 16.0 1.0 PG A:GNP201 3.3 22.8 1.0 PB A:GNP201 3.3 17.2 1.0 N3B A:GNP201 3.4 18.6 1.0 N A:THR35 3.8 22.5 1.0 OD2 A:ASP57 3.8 25.8 1.0 N A:SER17 3.9 14.4 1.0 CA A:THR35 4.1 27.7 1.0 CA A:SER17 4.1 16.2 1.0 O3G A:GNP201 4.1 24.1 1.0 OD1 A:ASP57 4.2 27.3 1.0 O1B A:GNP201 4.3 15.4 1.0 CG2 A:THR35 4.3 24.6 1.0 CG A:ASP57 4.3 28.0 1.0 O3A A:GNP201 4.3 16.4 1.0 O A:THR58 4.4 23.7 1.0 O1G A:GNP201 4.4 24.1 1.0 O2A A:GNP201 4.4 21.9 1.0 O A:ASP33 4.5 34.8 1.0 PA A:GNP201 4.6 21.2 1.0 C A:PRO34 4.7 31.6 1.0 O1A A:GNP201 4.7 18.2 1.0 CB A:LYS16 4.7 18.5 1.0 NZ A:LYS16 4.8 17.3 1.0 C A:LYS16 4.9 15.9 1.0 CA A:PRO34 4.9 32.1 1.0 CE A:LYS16 4.9 19.2 1.0 O A:HOH344 4.9 27.9 1.0

Magnesium binding site 2 out of 3 in the Allosteric Modulation of H-Ras Gtpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Allosteric Modulation of H-Ras Gtpase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg168 b:19.7 occ:1.00 O2G B:GNP202 2.2 24.7 1.0 O B:HOH179 2.3 26.7 1.0 O2B B:GNP202 2.4 17.3 1.0 OG B:SER17 2.4 21.2 1.0 O B:HOH176 2.4 18.1 1.0 O B:ILE36 2.6 34.3 1.0 PG B:GNP202 3.4 22.8 1.0 CB B:SER17 3.4 16.6 1.0 PB B:GNP202 3.5 16.7 1.0 N3B B:GNP202 3.6 22.9 1.0 C B:ILE36 3.9 44.8 1.0 OD2 B:ASP57 4.1 25.2 1.0 N B:SER17 4.1 13.2 1.0 O3G B:GNP202 4.2 24.8 1.0 CA B:SER17 4.3 16.1 1.0 OD1 B:ASP57 4.3 25.5 1.0 O2A B:GNP202 4.4 23.1 1.0 O1B B:GNP202 4.5 16.6 1.0 O1G B:GNP202 4.5 30.1 1.0 O3A B:GNP202 4.5 16.2 1.0 CG B:ASP57 4.6 28.1 1.0 O B:THR35 4.7 43.3 1.0 PA B:GNP202 4.8 20.9 1.0 CA B:ILE36 4.8 41.0 1.0 N B:GLU37 4.8 40.8 1.0 O B:THR58 4.8 26.9 1.0 CA B:GLU37 4.9 41.1 1.0 CB B:GLU37 4.9 41.0 1.0 O1A B:GNP202 4.9 22.0 1.0 CB B:LYS16 4.9 13.8 1.0

Magnesium binding site 3 out of 3 in the Allosteric Modulation of H-Ras Gtpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Allosteric Modulation of H-Ras Gtpase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg167 b:18.9 occ:1.00 O2G C:GNP203 2.2 19.7 1.0 O C:HOH278 2.2 19.0 1.0 O2B C:GNP203 2.2 13.7 1.0 O C:HOH277 2.3 17.3 1.0 OG C:SER17 2.3 18.6 1.0 O C:HOH299 2.3 18.5 1.0 CB C:SER17 3.2 15.0 1.0 PG C:GNP203 3.3 18.7 1.0 PB C:GNP203 3.3 16.4 1.0 N3B C:GNP203 3.4 19.0 1.0 O C:HOH474 3.7 28.8 1.0 O3G C:GNP203 4.0 21.5 1.0 N C:SER17 4.0 14.0 1.0 OD2 C:ASP57 4.1 24.1 1.0 CA C:SER17 4.2 15.9 1.0 O2A C:GNP203 4.3 23.4 1.0 O1B C:GNP203 4.4 14.8 1.0 O3A C:GNP203 4.4 17.2 1.0 OD1 C:ASP57 4.4 26.8 1.0 OD1 C:ASP33 4.4 35.7 1.0 O C:THR58 4.4 30.2 1.0 O1G C:GNP203 4.5 21.0 1.0 CG C:ASP57 4.6 25.6 1.0 PA C:GNP203 4.7 18.0 1.0 O1A C:GNP203 4.8 15.7 1.0 CE C:LYS16 5.0 13.7 1.0

S.Fetics, M.Young, G.Buhrman, C.Mattos. Allosteric Modulation of H-Ras Gtpase To Be Published.